SCHEMBL4558653

SCHEMBL4558653

CCC(C(N)=O)(c1ccccc1)C(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
CYP2D6 P10635 3/20 0.43
KCNH2 Q12809 2/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
CYP1A2 P05177 2/20 0.42
ALOX5 P09917 1/20 0.41
KIF11 P52732 3/20 0.41
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
GRIN2D O15399 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4558966 0.87 CYP2D6 (0.44) KMT2AMAPTCYP2D6KCNH2LMNA
SCHEMBL4055704 0.86 CYP2D6 (0.49) KMT2AMAPTCYP2D6KCNH2LMNA
SCHEMBL4058270 0.83 KIF11 (0.48) KMT2AMAPTCYP2D6KCNH2LMNA
SCHEMBL12504228 0.81 KCNN4 (0.39) KMT2AMAPTCYP2D6KCNH2CHRM2
SCHEMBL4061023 0.81 MAPT (0.43) KMT2AMAPTCYP2D6KCNH2LMNA
SCHEMBL25415617 0.79 ALOX5 (0.43) KMT2AMAPTCYP2D6KCNH2LMNA
SCHEMBL29084050 0.77 MAPT (0.50) KMT2AMAPTCYP2D6KCNH2LMNA
SCHEMBL12987245 0.77 RIPK1 (0.35) KMT2ACYP2D6KCNH2LMNACHRM2
SCHEMBL616618 0.76 KMT2A (0.48) KMT2AMAPTCYP2D6KCNH2LMNA
SCHEMBL4560696 0.76 MAPT (0.53) KMT2AMAPTCYP2D6KCNH2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 KMT2A 58/4885MAPT 1533/4885CYP2D6 986/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.